Sugi Predict

Sugi Predict / Compounds / SCHEMBL4498645

SCHEMBL4498645

SCHEMBL4498645

Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 15/20 0.55
▸ HRH1 P35367 6/20 0.55
▸ DRD3 P35462 6/20 0.55
▸ HTR2A P28223 5/20 0.55
▸ HTR2B P41595 5/20 0.55
▸ ADRA1A P35348 2/20 0.55
▸ SLC6A4 P31645 2/20 0.55
▸ SLC6A3 Q01959 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ MLNR O43193 1/20 0.55
▸ NR1I2 O75469 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ PGR P06401 1/20 0.55
▸ ADRB1 P08588 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ ADRA2A P08913 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4499708 0.90 LMNA (0.61) DRD2HRH1DRD3HTR2AHTR2B
SCHEMBL4508481 0.87 LMNA (0.53) DRD2HRH1DRD3HTR2AHTR2B
SCHEMBL4498430 0.82 LMNA (0.68) DRD2HRH1DRD3HTR2AHTR2B
SCHEMBL2327539 0.79 ALDH1A1 (0.64) DRD2HRH1DRD3HTR2AHTR2B
SCHEMBL6261397 0.77 ALOX15 (0.74) DRD2HRH1DRD3HTR2AHTR2B
SCHEMBL8556384 0.74 MEN1 (0.60) DRD2HRH1DRD3HTR2AHTR2B
SCHEMBL26007622 0.74 ALDH1A1 (0.58) DRD2HRH1DRD3HTR2AHTR2B
SCHEMBL11829762 0.74 DRD2 (0.70) DRD2HRH1DRD3HTR2AHTR2B
Pyrrocaine SCHEMBL25718 0.74 MEN1 (0.70) DRD2HRH1DRD3HTR2AHTR2B
SCHEMBL4500966 0.73 MEN1 (0.72) DRD2HRH1DRD3HTR2AHTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566717-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2009-07-28 — — US disclosed
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS PALLE VENKATA 2008-11-06 — — US disclosed
US-20070155728-A1 Substituted Heterocyclic Compounds PALLE VENKATA 2007-07-05 — — US disclosed
US-7205303-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-04-17 — — US disclosed
EP-1578737-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. (US) 2005-09-28 — — EP disclosed
US-20040176356-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 — — US disclosed
WO-2004063180-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. (US) 2004-07-29 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040176356-A1 Substituted heterocyclic compounds KCNH1, KCNJ2, SCN5A DRD2 2780/4885HRH1 994/4885DRD3 3174/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A DRD2 3572/4885HRH1 1989/4885DRD3 3820/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A DRD2 3572/4885HRH1 1989/4885DRD3 3820/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.